Chemical ID: 4781042

COc1ccc(cc1)C2=C(C(=CN3CCCCC3)N=C2)[N+](=O)[O-]
Chemical ID:
4781042
Name [?]:
1-[[4-(4-methoxyphenyl)-3-nitro-pyrrol-2-ylidene]methyl]piperidine
SMILES [?]:
COc1ccc(cc1)C2=C(C(=CN3CCCCC3)N=C2)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H19N3O3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:4.50893
Area:491.678
Solvation:-7.78303
Coulombic:-31.7939
Bond Count [?]
All:25
Single:18
Double:7
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:313.351
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.53
LogP (Chemaxon):1.89

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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